4-chloro-6-(3-phenylpropoxy)-5-propan-2-ylpyrimidine

C16H19ClN2O — CID 63734538

IUPAC4-chloro-6-(3-phenylpropoxy)-5-propan-2-ylpyrimidine
SMILESCC(C)c1c(Cl)ncnc1OCCCc1ccccc1
InChIInChI=1S/C16H19ClN2O/c1-12(2)14-15(17)18-11-19-16(14)20-10-6-9-13-7-4-3-5-8-13/h3-5,7-8,11-12H,6,9-10H2,1-2H3
InChIKeyRQGNXWXSUFKPCP-UHFFFAOYSA-N
MW290.79 g/mol
LogP4.26
Rot. Bonds6

About 4-chloro-6-(3-phenylpropoxy)-5-propan-2-ylpyrimidine

4-chloro-6-(3-phenylpropoxy)-5-propan-2-ylpyrimidine (PubChem CID 63734538) has the molecular formula C16H19ClN2O and a molecular weight of 290.79 g/mol. Its IUPAC name is 4-chloro-6-(3-phenylpropoxy)-5-propan-2-ylpyrimidine.

Molecular Properties

Compound Name4-chloro-6-(3-phenylpropoxy)-5-propan-2-ylpyrimidine
PubChem CID63734538
Molecular FormulaC16H19ClN2O
Molecular Weight290.79 g/mol
Exact Mass290.12
IUPAC Name4-chloro-6-(3-phenylpropoxy)-5-propan-2-ylpyrimidine
SMILESCC(C)c1c(Cl)ncnc1OCCCc1ccccc1
InChIInChI=1S/C16H19ClN2O/c1-12(2)14-15(17)18-11-19-16(14)20-10-6-9-13-7-4-3-5-8-13/h3-5,7-8,11-12H,6,9-10H2,1-2H3
InChIKeyRQGNXWXSUFKPCP-UHFFFAOYSA-N
XLogP4.26
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.79
LogP ≤ 54.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-methyl-6-(3-phenylpropoxy)-5-propan-2-ylpyrimidin-4-amine
CID 80879887
4-(4-butylphenoxy)-6-chloro-5-propan-2-ylpyrimidine
CID 115492542
4-chloro-5-propan-2-yl-6-(2-propoxyphenoxy)pyrimidine
CID 63735708
N-ethyl-5-methyl-6-(3-phenylpropoxy)pyrimidin-4-amine
CID 80872107
4-chloro-6-(2-ethylhexoxy)-5-propan-2-ylpyrimidine
CID 63736036
4-chloro-6-(2,5-dichlorophenoxy)-5-propan-2-ylpyrimidine
CID 55229855
4-chloro-6-[2-(1-methylpyrrolidin-2-yl)ethoxy]-5-propan-2-ylpyrimidine
CID 55231010
4-chloro-6-(2,6-dimethoxyphenoxy)-5-propan-2-ylpyrimidine
CID 63736223
4-chloro-6-(3-methylphenoxy)-5-propan-2-ylpyrimidine
CID 63736411
3,5-dichloro-6-(3-phenylpropoxy)pyridin-2-amine
CID 102760880
4-chloro-6-(4-fluorophenoxy)-5-propan-2-ylpyrimidine
CID 63734173
2-[benzyl-(6-chloro-5-propan-2-ylpyrimidin-4-yl)amino]ethanol
CID 63727847

Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-(3-phenylpropoxy)-5-propan-2-ylpyrimidine?
The IUPAC name of 4-chloro-6-(3-phenylpropoxy)-5-propan-2-ylpyrimidine (CID 63734538) is 4-chloro-6-(3-phenylpropoxy)-5-propan-2-ylpyrimidine.
What is the SMILES notation for 4-chloro-6-(3-phenylpropoxy)-5-propan-2-ylpyrimidine?
The canonical SMILES for 4-chloro-6-(3-phenylpropoxy)-5-propan-2-ylpyrimidine is CC(C)c1c(Cl)ncnc1OCCCc1ccccc1.
What is the InChIKey of 4-chloro-6-(3-phenylpropoxy)-5-propan-2-ylpyrimidine?
The InChIKey is RQGNXWXSUFKPCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19ClN2O/c1-12(2)14-15(17)18-11-19-16(14)20-10-6-9-13-7-4-3-5-8-13/h3-5,7-8,11-12H,6,9-10H2,1-2H3.
What are the key properties of 4-chloro-6-(3-phenylpropoxy)-5-propan-2-ylpyrimidine?
4-chloro-6-(3-phenylpropoxy)-5-propan-2-ylpyrimidine has a molecular weight of 290.79 g/mol, XLogP of 4.26, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-(3-phenylpropoxy)-5-propan-2-ylpyrimidine is sourced from PubChem (CID 63734538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).